⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL276136 | 1.00 | — | — | |
| SCHEMBL25217276 | 1.00 | — | — | |
| SCHEMBL25223861 | 1.00 | — | — | |
| SCHEMBL10578965 | 0.92 | — | — | |
| SCHEMBL154191 | 0.89 | CA1 (0.36) | — | |
| SCHEMBL154190 | 0.89 | CA1 (0.36) | — | |
| SCHEMBL10582604 | 0.83 | CA1 (0.31) | — | |
| SCHEMBL303875 | 0.81 | — | — | |
| SCHEMBL3816252 | 0.72 | — | — | |
| SCHEMBL7929723 | 0.72 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1957198-B1 | CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS | LUCITE INT UK LTD (GB) | 2018-08-22 | — | — | EP | disclosed |
| US-9334227-B2 | Carbonylation of ethylenically unsaturated compounds | LUCITE INTERNATIONAL UK LIMITED (GB) | 2016-05-10 | — | — | US | disclosed |
| EP-2007703-B1 | METAL COMPLEXES FOR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS | LUCITE INT UK LTD (GB) | 2013-12-18 | — | — | EP | disclosed |
| US-8445711-B2 | Metal complexes | LUCITE INTERNATIONAL UK LIMITED (GB) | 2013-05-21 | — | — | US | disclosed |
| US-20090312561-A1 | METAL COMPLEXES | LUCITE INTERNATIONAL UK LIMITED (GB) | 2009-12-17 | — | — | US | disclosed |
| US-20090163724-A1 | Carbonylation of Ethylenically Unsaturated Compounds | LUCITE INTERNATIONAL UK LIMITED (GB) | 2009-06-25 | — | — | US | disclosed |
| EP-2007703-A1 | METAL COMPLEXES FOR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS | Lucite International UK Limited (GB) | 2008-12-31 | — | — | EP | disclosed |
| EP-1957198-A1 | CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS | Lucite International UK Limited (GB) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007119079-A1 | METAL COMPLEXES FOR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS | LUCITE INTERNATIONAL UK LIMITED (GB) | 2007-10-25 | — | — | WO | disclosed |
| WO-2007057640-A1 | CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS | LUCITE INTERNATIONAL UK LIMITED (GB) | 2007-05-24 | — | — | WO | disclosed |